2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde

C16H12O3 — CID 132533986

IUPAC2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde
SMILESCc1ccc(-c2oc(-c3ccccc3)cc2C=O)o1
InChIInChI=1S/C16H12O3/c1-11-7-8-14(18-11)16-13(10-17)9-15(19-16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVDWFPAVTNYOHCF-UHFFFAOYSA-N
MW252.27 g/mol
LogP4.33
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde

2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde (PubChem CID 132533986) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde
PubChem CID132533986
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde
SMILESCc1ccc(-c2oc(-c3ccccc3)cc2C=O)o1
InChIInChI=1S/C16H12O3/c1-11-7-8-14(18-11)16-13(10-17)9-15(19-16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVDWFPAVTNYOHCF-UHFFFAOYSA-N
XLogP4.33
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-phenylfuran-3-carbaldehyde
CID 2795313
5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde
CID 132533984
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 818637
5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde
CID 10960411
5-(3-chlorophenyl)-2-methylfuran-3-carbaldehyde
CID 87480512
4-oxo-2-phenylchromene-8-carbaldehyde
CID 13233926
6,8-dimethyl-2-phenylchromen-7-one
CID 57182675
3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan
CID 146601487
7-methyl-2-phenylpyrano[4,3-b]pyran-4,5-dione
CID 14202855
[3-(5-methylfuran-2-yl)phenyl]boronic acid
CID 90487961
5-(4-bromophenyl)-3-methyl-2-phenylfuran
CID 132549906
2-methyl-5-phenylfuran-3-amine
CID 68824327

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde?
The IUPAC name of 2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde (CID 132533986) is 2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde?
The canonical SMILES for 2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde is Cc1ccc(-c2oc(-c3ccccc3)cc2C=O)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde?
The InChIKey is VDWFPAVTNYOHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-11-7-8-14(18-11)16-13(10-17)9-15(19-16)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde?
2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde has a molecular weight of 252.27 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde is sourced from PubChem (CID 132533986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).